MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009178

ISOBUTRIC ACID; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009178
RECORD_TITLE: ISOBUTRIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: ISOBUTRIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈O₂
CH$EXACT_MASS: 88.05243
CH$SMILES: CC(C)C(O)=O
CH$IUPAC: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
CH$LINK: INCHIKEY KQNPFQTWMSNSAP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021636

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AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9000000000-e8e4dc7f7f3f492ec19c
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 2.92 29
  26 3.4 34
  27 33.72 337
  28 2.73 27
  29 4.75 48
  31 1.35 14
  37 1.55 16
  38 2.76 28
  39 14.64 146
  40 2.11 21
  41 46.34 463
  42 8.81 88
  43 99.99 999
  44 2.96 30
  45 10.44 104
  55 4.12 41
  60 1.39 14
  71 2.05 21
  73 23.1 231
  88 6.96 70
//